2-[(3-methoxyphenyl)amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]butanamide

• ChemBase ID: 347358
• Molecular Formular: C16H24N4O3
• Molecular Mass: 320.38676
• Monoisotopic Mass: 320.18484065
• SMILES: C1(=O)N(CCNC(=O)C(Nc2cc(OC)ccc2)CC)CCN1
• Canonical SMILES: CCC(C(=O)NCCN1CCNC1=O)Nc1cccc(c1)OC
• InChI: InChI=1S/C16H24N4O3/c1-3-14(19-12-5-4-6-13(11-12)23-2)15(21)17-7-9-20-10-8-18-16(20)22/h4-6,11,14,19H,3,7-10H2,1-2H3,(H,17,21)(H,18,22)
• InChIKey: VBKHGDFRSKLASC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-methoxyphenyl)amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]butanamide
• IUPAC Traditional name: 2-[(3-methoxyphenyl)amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]butanamide
• Synonyms: 2-[(3-methoxyphenyl)amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.939089
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.23840751
• LogD (pH = 7.4): 0.23849924
• Log P: 0.23850052
• Molar Refractivity: 88.4311 cm^3
• Polarizability: 33.416225 Å^3
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.16
• LOG S: -2.52
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 8